3-[[2-chloro-9-(oxolan-2-yl)purin-6-yl]amino]phenol

C15H14ClN5O2 — CID 146574627

IUPAC3-[[2-chloro-9-(oxolan-2-yl)purin-6-yl]amino]phenol
SMILESOc1cccc(Nc2nc(Cl)nc3c2ncn3C2CCCO2)c1
InChIInChI=1S/C15H14ClN5O2/c16-15-19-13(18-9-3-1-4-10(22)7-9)12-14(20-15)21(8-17-12)11-5-2-6-23-11/h1,3-4,7-8,11,22H,2,5-6H2,(H,18,19,20)
InChIKeyPSVIYSYWZFEEJJ-UHFFFAOYSA-N
MW331.76 g/mol
LogP3.24
Rot. Bonds3

About 3-[[2-chloro-9-(oxolan-2-yl)purin-6-yl]amino]phenol

3-[[2-chloro-9-(oxolan-2-yl)purin-6-yl]amino]phenol (PubChem CID 146574627) has the molecular formula C15H14ClN5O2 and a molecular weight of 331.76 g/mol. Its IUPAC name is 3-[[2-chloro-9-(oxolan-2-yl)purin-6-yl]amino]phenol.

Molecular Properties

Compound Name3-[[2-chloro-9-(oxolan-2-yl)purin-6-yl]amino]phenol
PubChem CID146574627
Molecular FormulaC15H14ClN5O2
Molecular Weight331.76 g/mol
Exact Mass331.08
IUPAC Name3-[[2-chloro-9-(oxolan-2-yl)purin-6-yl]amino]phenol
SMILESOc1cccc(Nc2nc(Cl)nc3c2ncn3C2CCCO2)c1
InChIInChI=1S/C15H14ClN5O2/c16-15-19-13(18-9-3-1-4-10(22)7-9)12-14(20-15)21(8-17-12)11-5-2-6-23-11/h1,3-4,7-8,11,22H,2,5-6H2,(H,18,19,20)
InChIKeyPSVIYSYWZFEEJJ-UHFFFAOYSA-N
XLogP3.24
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,3-diamine
CID 146575151
4-[[2-chloro-9-(oxan-2-yl)purin-6-yl]amino]benzene-1,3-diol
CID 146574987
2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine
CID 146575258
2-chloro-N-(2-ethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine
CID 146574952
2-chloro-N-(2,4-dimethoxyphenyl)-9-(oxan-2-yl)purin-6-amine
CID 146574556
1-N,4-N-bis[2-chloro-9-(oxan-2-yl)purin-6-yl]cyclohexane-1,4-diamine
CID 59343091
2-chloro-9-(oxan-2-yl)-N-(2,3,4-trifluorophenyl)purin-6-amine
CID 146574717
6-N-(2-chlorophenyl)-9-(oxolan-2-yl)purine-2,6-diamine
CID 146574966
2-bromo-N-(2,3-dichlorophenyl)-9-(oxolan-2-yl)purin-6-amine
CID 146574899
N-(2,3-dichlorophenyl)-2-iodo-9-(oxolan-2-yl)purin-6-amine
CID 146574757
N-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine
CID 146575044
2-bromo-N-(4-chlorophenyl)-9-(oxan-2-yl)purin-6-amine
CID 146574830

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-9-(oxolan-2-yl)purin-6-yl]amino]phenol?
The IUPAC name of 3-[[2-chloro-9-(oxolan-2-yl)purin-6-yl]amino]phenol (CID 146574627) is 3-[[2-chloro-9-(oxolan-2-yl)purin-6-yl]amino]phenol.
What is the SMILES notation for 3-[[2-chloro-9-(oxolan-2-yl)purin-6-yl]amino]phenol?
The canonical SMILES for 3-[[2-chloro-9-(oxolan-2-yl)purin-6-yl]amino]phenol is Oc1cccc(Nc2nc(Cl)nc3c2ncn3C2CCCO2)c1.
What is the InChIKey of 3-[[2-chloro-9-(oxolan-2-yl)purin-6-yl]amino]phenol?
The InChIKey is PSVIYSYWZFEEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2/c16-15-19-13(18-9-3-1-4-10(22)7-9)12-14(20-15)21(8-17-12)11-5-2-6-23-11/h1,3-4,7-8,11,22H,2,5-6H2,(H,18,19,20).
What are the key properties of 3-[[2-chloro-9-(oxolan-2-yl)purin-6-yl]amino]phenol?
3-[[2-chloro-9-(oxolan-2-yl)purin-6-yl]amino]phenol has a molecular weight of 331.76 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-9-(oxolan-2-yl)purin-6-yl]amino]phenol is sourced from PubChem (CID 146574627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).